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Home Members Chewle, Surahit, Dr.

Chewle, Surahit, Dr.

Contact

Position
Staff
Room
4032
Phone
+49 30 84185-354
Email
chewle@zib.de
Division
Mathematics of Complex Systems
Department
Modeling and Simulation of Complex Processes
Group
Computational Molecular Design

Projects

Projects as Member

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Analysis tools for dynamic interfaces to understand nanostrutures

Bioinspired mussel adhesives that bound to the nanometer-sized metal oxide particles exhibit phenomenal nanomaterial properties. Those material specific binding domains...

Analysis tools for dynamic interfaces to understand nanostrutures
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Crystallization: interactions of Drug molecules with small organic solvents

Introduction Polymorphism in drug molecules is an important property, since it can govern the solubility, release profile and thus the overall efficacy of the formulation...

Crystallization: interactions of Drug molecules with small organic solvents

Publications

2025
Capturing the Macroscopic Behaviour of Molecular Dynamics with Membership Functions Mathematical Optimization for Machine Learning: Proceedings of the MATH+ Thematic Einstein Semester 2023, 2025 Alexander Sikorski, Robert Julian Rabben, Surahit Chewle, Marcus Weber BibTeX
arXiv
DOI
Investigating Endogenous Opioids Unravels the Mechanisms Behind Opioid-Induced Constipation, a Mathematical Modeling Approach International Journal of Molecular Sciences, 26(13), 2025 Celvic Coomber, Surahit Chewle, Christopher Secker, Konstantin Fackeldey, Marcus Weber, Stefanie Winkelmann, Christof Schütte, Vikram Sunkara BibTeX
DOI
2024
Topological analysis reveals multiple pathways in molecular dynamics 2024 (under review) Luca Donati, Surahit Chewle, Dominik St. Pierre, Vijay Natarajan, Marcus Weber BibTeX
arXiv
2023
Probing effects of organic solvents on paracetamol crystallization using in silico and orthogonal in situ methods Doctoral thesis, Humboldt-Universität zu Berlin, Marcus Weber, Franziska Emmerling (Advisors), 2023 Surahit Chewle BibTeX
Revealing Kinetics of Paracetamol Crystallization Using Time-Resolved Raman Spectroscopy, Orthogonal Time-Lapse Photography, and Non-Negative Matrix Factorization (OSANO) Crystal Growth & Design, 23(9), pp. 6737-6746, 2023 Surahit Chewle, Marcus Weber, Franziska Emmerling BibTeX
DOI
2022
SepFree NMF: A Toolbox for Analyzing the Kinetics of Sequential Spectroscopic Data Algorithms, 15(9), p. 297, 2022 Renata Sechi, Konstantin Fackeldey, Surahit Chewle, Marcus Weber BibTeX
DOI
2021
Analyzing Raman Spectral Data without Separabiliy Assumption Journal of Mathematical Chemistry, 3(59), pp. 575-596, 2021 Konstantin Fackeldey, Jonas Röhm, Amir Niknejad, Surahit Chewle, Marcus Weber BibTeX
arXiv
DOI
2020
Effect of choice of solvent on crystallization pathway of Paracetamol: An experimental and theoretical case study Crystals, 10(12), p. 1107, 2020 Surahit Chewle, Franziska Emmerling, Marcus Weber BibTeX
DOI

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